Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H11N3OS/c1-15(2,14)13-10-7-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3
SMILES CS(=Nc1cnc2c(n1)cccc2)(=O)C
InChI Key IDNFKCQWDFVAHN-UHFFFAOYSA-N
Exact Mass 221.279 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDNFKCQWDFVAHN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IDNFKCQWDFVAHN-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • dimethyl-oxo-quinoxalin-2-ylimino-lambda6-sulfane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877808 pubchem
    The data in this table is sourced from UniChem at EBI.